[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C14H15ClN3O3S+ MolecularWeight: 340.8052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14ClN3O3S/c1-17(8-11-3-2-6-22-11)9-14(19)16-13-5-4-10(18(20)21)7-12(13)15/h2-7H,8-9H2,1H3,(H,16,19)/p+1